| CAS Number | 129053-67-4 |
| Catalog Number | AG009CRF(AGN-PC-0WP0UL) |
| Chemical Name | 2-Bromo-5-methyloxazole |
| IUPAC Name | 2-bromo-5-methyl-1,3-oxazole |
| InChI | InChI=1S/C4H4BrNO/c1-3-2-6-4(5)7-3/h2H,1H3 |
| InChI Key | GRQRFFBVFCUMRC-UHFFFAOYSA-N |
| MDL Number | MFCD18834560 |
| Molecular Formula | C4H4BrNO |
| Molecular Weight | 161.9847 |
| SMILES | CC1=CN=C(Br)O1 |
| Synonyms | 2-Bromo-5-methyloxazole,
129053-67-4,
2-broMo-5-Methyl-oxazole,
Oxazole, 2-bromo-5-methyl-,
GEO-03418,
ZINC90411827,
AKOS025148522,
AB71573,
QC-9954,
RP07208,
2-BROMO-5-METHYL-1,3-OXAZOLE,
Y7373,
W-205306,
C4H4BrNO,
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| Complexity | 68.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.986g/mol |
| Monoisotopic Mass | 160.948g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number